2-[[2-(2-methylphenyl)-4-(3-phenylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[2-(2-methylphenyl)-4-(3-phenylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-(o-tolyl)-4-(3-phenylphenyl)benzoyl]amino]butanoic acid CAS Name: 2-[[[2-(2-methylphenyl)-4-(3-phenylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(2-methylphenyl)-4-(3-phenylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 4-(methylthio)-2-[[2-(o-tolyl)-4-(3-phenylphenyl)benzoyl]amino]butyric acid Formula: C31H29NO3S MolecularWeight: 495.63186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)C3=CC=CC(=C3)C4=CC=CC=C4)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)C3=CC=CC(=C3)C4=CC=CC=C4)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C31H29NO3S/c1-21-9-6-7-14-26(21)28-20-25(24-13-8-12-23(19-24)22-10-4-3-5-11-22)15-16-27(28)30(33)32-29(31(34)35)17-18-36-2/h3-16,19-20,29H,17-18H2,1-2H3,(H,32,33)(H,34,35)